6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

C21H20ClN5O3 — CID 67887304

IUPAC6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(c2nc(-c3ncn4c3c(=O)n(CC3CCCO3)c3c(Cl)cccc34)no2)CC1
InChIInChI=1S/C21H20ClN5O3/c1-21(7-8-21)20-24-18(25-30-20)15-17-19(28)26(10-12-4-3-9-29-12)16-13(22)5-2-6-14(16)27(17)11-23-15/h2,5-6,11-12H,3-4,7-10H2,1H3
InChIKeyNIBOXUUKQXENJN-UHFFFAOYSA-N
MW425.88 g/mol
LogP3.58
Rot. Bonds4

About 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67887304) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67887304
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC Name6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(c2nc(-c3ncn4c3c(=O)n(CC3CCCO3)c3c(Cl)cccc34)no2)CC1
InChIInChI=1S/C21H20ClN5O3/c1-21(7-8-21)20-24-18(25-30-20)15-17-19(28)26(10-12-4-3-9-29-12)16-13(22)5-2-6-14(16)27(17)11-23-15/h2,5-6,11-12H,3-4,7-10H2,1H3
InChIKeyNIBOXUUKQXENJN-UHFFFAOYSA-N
XLogP3.58
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67887036
6-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67886470
6-fluoro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886944
6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886194
7-chloro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889759
6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889233
7-chloro-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888260
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56617043
5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889769
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886927
6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889427
3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-[2-(4-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889406

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67887304) is 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is CC1(c2nc(-c3ncn4c3c(=O)n(CC3CCCO3)c3c(Cl)cccc34)no2)CC1.
What is the InChIKey of 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is NIBOXUUKQXENJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c1-21(7-8-21)20-24-18(25-30-20)15-17-19(28)26(10-12-4-3-9-29-12)16-13(22)5-2-6-14(16)27(17)11-23-15/h2,5-6,11-12H,3-4,7-10H2,1H3.
What are the key properties of 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 425.88 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67887304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).